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7WRZ
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BU of 7wrz by Molmil
Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-28
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
8D4X
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BU of 8d4x by Molmil
Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a dimeric form
分子名称: E3 ubiquitin-protein ligase UBR5, ZINC ION
著者Wang, F, He, Q, Lin, G, Li, H.
登録日2022-06-02
公開日2023-04-19
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the human UBR5 E3 ubiquitin ligase.
Structure, 31, 2023
5ZIO
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BU of 5zio by Molmil
Crystal structure of NDM-1 in complex with L-captopril
分子名称: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-16
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
5ZJ2
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BU of 5zj2 by Molmil
Crystal structure of NDM-1 in complex with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-18
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
8K20
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BU of 8k20 by Molmil
Cryo-EM structure of KEOPS complex from Arabidopsis thaliana
分子名称: At4g34412, At5g53043, FE (III) ION, ...
著者Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H.
登録日2023-07-11
公開日2024-04-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A.
Nucleic Acids Res., 52, 2024
4ANW
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BU of 4anw by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
分子名称: 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
著者Foster, P.G, Lougheed, J.C.
登録日2012-03-22
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
8E0Q
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BU of 8e0q by Molmil
Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a C2 symmetric dimeric form
分子名称: E3 ubiquitin-protein ligase UBR5, ZINC ION
著者Wang, F, He, Q, Lin, G, Li, H.
登録日2022-08-09
公開日2023-04-19
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structure of the human UBR5 E3 ubiquitin ligase.
Structure, 31, 2023
4ANX
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BU of 4anx by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
分子名称: 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
著者Foster, P.G, Lougheed, J.C.
登録日2012-03-22
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
1ZV1
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BU of 1zv1 by Molmil
Crystal structure of the dimerization domain of doublesex protein from D. melanogaster
分子名称: Doublesex protein
著者Weiss, M.A, Bayrer, J.R, Wan, Z, Li, B, Phillips, N.B.
登録日2005-06-01
公開日2005-08-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Dimerization of doublesex is mediated by a cryptic ubiquitin-associated domain fold: implications for sex-specific gene regulation
J.Biol.Chem., 280, 2005
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
分子名称: 3372H, 3372L, Spike protein S1
著者Liu, P.L.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WR8
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BU of 7wr8 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-3152 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
4GB0
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BU of 4gb0 by Molmil
Crystal Structure of the RING domain of RNF168
分子名称: E3 ubiquitin-protein ligase RNF168, MALONATE ION, ZINC ION
著者Zhang, X.Q, Wang, C.L, Zang, J.Y.
登録日2012-07-26
公開日2013-07-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for role of ring finger protein RNF168 RING domain
Cell Cycle, 12, 2013
3UQR
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BU of 3uqr by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.056 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
2P4J
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BU of 2p4j by Molmil
Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3
分子名称: Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
著者Hong, L, Ghosh, A.K, Tang, J.
登録日2007-03-12
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.
J.Med.Chem., 50, 2007
3ENC
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BU of 3enc by Molmil
Crystal structure of Pyrococcus furiosus PCC1 dimer
分子名称: protein PCC1
著者Neculai, D.
登録日2008-09-25
公開日2008-10-28
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.6304 Å)
主引用文献Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
4ANV
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BU of 4anv by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
分子名称: 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
著者Foster, P.G, Lougheed, J.C.
登録日2012-03-22
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
3UYW
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BU of 3uyw by Molmil
Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin
分子名称: 2-AMINOETHANESULFONIC ACID, Hemagglutinin
著者Xuan, C.L, Shi, Y, Qi, J.X, Xiao, H.X, Gao, G.F.
登録日2011-12-06
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structural vaccinology: structure-based design of influenza A virus hemagglutinin subtype-specific subunit vaccines
Protein Cell, 2, 2011
3ENP
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BU of 3enp by Molmil
Crystal structure of human cgi121
分子名称: TP53RK-binding protein
著者Haffani, Y.Z, Ceccarelli, D.F, Neculai, D, Mao, D.Y, Sicheri, F.
登録日2008-09-25
公開日2008-11-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
6A0Q
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BU of 6a0q by Molmil
The crystal structure of Lpg2622_E64 complex
分子名称: Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Gong, X, Ge, H.
登録日2018-06-06
公開日2018-09-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
3EN9
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BU of 3en9 by Molmil
Structure of the Methanococcus jannaschii KAE1-BUD32 fusion protein
分子名称: HEXATANTALUM DODECABROMIDE, MAGNESIUM ION, O-sialoglycoprotein endopeptidase/protein kinase
著者Neculai, D.
登録日2008-09-25
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
3ENO
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BU of 3eno by Molmil
Crystal structure of Pyrococcus furiosus Pcc1 in complex with Thermoplasma acidophilum Kae1
分子名称: MAGNESIUM ION, Putative O-sialoglycoprotein endopeptidase, uncharacterized protein PF2011
著者Neculai, D.
登録日2008-09-25
公開日2008-10-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.0201 Å)
主引用文献Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
4ANU
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BU of 4anu by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
分子名称: 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
著者Foster, P.G, Lougheed, J.C.
登録日2012-03-22
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
4AWP
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BU of 4awp by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
著者Lougheed, J.C, Stout, T.J.
登録日2012-06-05
公開日2012-08-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
1U7O
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BU of 1u7o by Molmil
Magnesium Dependent Phosphatase 1 (MDP-1)
分子名称: ACETATE ION, magnesium-dependent phosphatase-1
著者Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2004-08-04
公開日2004-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
5XL6
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BU of 5xl6 by Molmil
The structure of hemagglutinin Q226L mutant from a avian-origin H4N6 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, F.G.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017

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件を2024-09-04に公開中

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